2007 Fiscal Year Final Research Report Summary
Theoretical study on the defects and their dynamics in multi-wall carbon nanotube
| Project/Area Number |
17510097
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Nanomaterials/Nanobioscience
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| Research Institution | Kanazawa University |
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Principal Investigator |
ODA Tatsuki Kanazawa University, Graduate School of Natural Science and Technology, Associate Professor (30272941)
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| Co-Investigator(Kenkyū-buntansha) |
SAITO Mineo Kanazawa University, Graduate School of Natural Science and Technology, Professor (60377398)
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| Project Period (FY) |
2005 – 2007
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| Keywords | nano-technology / electronics / carbon nano-tube / graphene / inherent defect / magic number / density functional theory / iron nano-wire |
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| Research Abstract |
energy, compared with the atomic vacancy defect.
We have researched the set of chiralities for the double walled (DW) CNT which corresponds to the experimentally observed one. For the DWCNT (13, 0)@(22, 0), we have obtained the electronic structure. We have also studied the electronic structure of the CNTs which include the Fe atomic wire. At the stable geometry in which the Fe atoms form a straight wire, the Fe wire was found to be located on the wall. We have obtained a ferromagnetic alignment and a novel anti-ferromagnetic one in Fe magnetic configurations as low energy states. The anti-ferromagnet consists of the two ferromagnetic dimers which couple in anti-parallel alignment.
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